1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one

C14H15N3O2S — CID 5005471

IUPAC1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESCn1c(SCC(=O)N2CCCC2=O)nc2ccccc21
InChIInChI=1S/C14H15N3O2S/c1-16-11-6-3-2-5-10(11)15-14(16)20-9-13(19)17-8-4-7-12(17)18/h2-3,5-6H,4,7-9H2,1H3
InChIKeyUUQLPMXNTNAFOO-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one

1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one (PubChem CID 5005471) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one
PubChem CID5005471
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESCn1c(SCC(=O)N2CCCC2=O)nc2ccccc21
InChIInChI=1S/C14H15N3O2S/c1-16-11-6-3-2-5-10(11)15-14(16)20-9-13(19)17-8-4-7-12(17)18/h2-3,5-6H,4,7-9H2,1H3
InChIKeyUUQLPMXNTNAFOO-UHFFFAOYSA-N
XLogP1.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one (CID 5005471) is 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one is Cn1c(SCC(=O)N2CCCC2=O)nc2ccccc21.
What is the InChIKey of 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is UUQLPMXNTNAFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-16-11-6-3-2-5-10(11)15-14(16)20-9-13(19)17-8-4-7-12(17)18/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one?
1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 289.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 5005471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).